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Atomistic Simulations of Dislocation Pileup: Grain Boundaries Interaction

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Abstract

Using molecular dynamics (MD) simulations, we studied the dislocation pileup–grain boundary (GB) interactions. Two Σ11 asymmetrical tilt grain boundaries in Al are studied to explore the influence of orientation relationship and interface structure on dislocation activities at grain boundaries. To mimic the reality of a dislocation pileup in a coarse-grained polycrystalline, we optimized the dislocation population in MD simulations and developed a predict-correct method to create a dislocation pileup in MD simulations. MD simulations explored several kinetic processes of dislocations–GB reactions: grain boundary sliding, grain boundary migration, slip transmission, dislocation reflection, reconstruction of grain boundary, and the correlation of these kinetic processes with the available slip systems across the GB and atomic structures of the GB.

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Acknowledgements

This work was originally supported by the Los Alamos National Laboratory Directed Research and Development project (LDRD-DR) during 2009–2011 and later finished with the support provided by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences and the Los Alamos National Laboratory Directed Research and Development project LDRD-ER20140450. The author acknowledges collaborations with T.C. Germann, S.M. Valone, R.G. Hoagland, and A.F. Voter, at Los Alamos National Laboratory, Prof. A. Misra at University of Michigan, and Prof. J.P. Hirth.

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  1. Materials Science & Technology Division, Los Alamos National Laboratory, Los Alamos, NM, 87545, USA

    Jian Wang

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  1. Jian Wang
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Correspondence to Jian Wang.

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Wang, J. Atomistic Simulations of Dislocation Pileup: Grain Boundaries Interaction. JOM 67, 1515–1525 (2015). https://doi.org/10.1007/s11837-015-1454-0

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  • DOI: https://doi.org/10.1007/s11837-015-1454-0

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